| SpectraBase Compound ID | Fk2qnpKxBZx |
|---|---|
| InChI | InChI=1S/C20H40O4/c1-3-5-6-7-9-12-15-18(21)19(22)16-13-10-8-11-14-17-20(23)24-4-2/h18-19,21-22H,3-17H2,1-2H3 |
| InChIKey | VCWDSCBRVHLTOD-UHFFFAOYSA-N |
| Mol Weight | 344.5 g/mol |
| Molecular Formula | C20H40O4 |
| Exact Mass | 344.29266 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 4pKcVnUlD1K |
|---|---|
| Name | Ethyl 9,10-dihydroxyoctadecanoate |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 344.292659764 u |
| Formula | C20H40O4 |
| InChI | InChI=1S/C20H40O4/c1-3-5-6-7-9-12-15-18(21)19(22)16-13-10-8-11-14-17-20(23)24-4-2/h18-19,21-22H,3-17H2,1-2H3 |
| InChIKey | VCWDSCBRVHLTOD-UHFFFAOYSA-N |
| SMILES | C(CCCCCC(C(CCCCCCCC)O)O)CC(=O)OCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.952385 |